Acta Cryst. (2005). E61, i23-i25  [ doi:10.1107/S1600536805002886 ]

Eu_1.8La_0.2BaZnO₅: a Rietveld refinement using X-ray powder diffraction

J. A. Hernández-Pérez, M.-E. Villafuerte-Castrejón and L. Bucio

Online 5 February 2005

Key indicators

• Powder X-ray study
• T = 300 K
• Mean (n-O) = 0.014 Å
• Disorder in main residue
• R factor = 0.000
• wR factor = 0.000
• Data-to-parameter ratio = 23.3

checkCIF/PLATON results

No syntax errors found



Alert level A
GEOM005_ALERT_1_A  _geom_angle_atom_site_label_1 is missing
            Label identifying the atom site 1.

Alert level C
REFI015_ALERT_1_A  _refine_ls_shift/su_max is missing
            Maximum shift/s.u. ratio after final refinement cycle.
            The following tests will not be performed
            SHFSU_01
REFI023_ALERT_1_C  _refine_diff_density_max is missing
            Maximum value of final difference map (e A-3).
            The following tests will not be performed
            DIFMN_01,DIFMX_01,DIFMX_02
REFI024_ALERT_1_C  _refine_diff_density_min is missing
            Minimum value of final difference map (e A-3).
            The following tests will not be performed
            DIFMN_01,DIFMN_02,DIFMN_03
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.25 Ratio 
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT128_ALERT_4_C Non-standard setting of Space group Pnma    ....    Pbnm          
PLAT301_ALERT_3_C Main Residue  Disorder .........................      10.00 Perc. 

   2 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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